2-(3-phenoxy-2-pyridinyl)benzaldehyde

C18H13NO2 — CID 54465090

IUPAC2-(3-phenoxy-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccccc1-c1ncccc1Oc1ccccc1
InChIInChI=1S/C18H13NO2/c20-13-14-7-4-5-10-16(14)18-17(11-6-12-19-18)21-15-8-2-1-3-9-15/h1-13H
InChIKeyGGBHCQSGUJTPNX-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.35
Rot. Bonds4

About 2-(3-phenoxy-2-pyridinyl)benzaldehyde

2-(3-phenoxy-2-pyridinyl)benzaldehyde (PubChem CID 54465090) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-phenoxy-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-(3-phenoxy-2-pyridinyl)benzaldehyde
PubChem CID54465090
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-(3-phenoxy-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccccc1-c1ncccc1Oc1ccccc1
InChIInChI=1S/C18H13NO2/c20-13-14-7-4-5-10-16(14)18-17(11-6-12-19-18)21-15-8-2-1-3-9-15/h1-13H
InChIKeyGGBHCQSGUJTPNX-UHFFFAOYSA-N
XLogP4.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-4-yloxybenzaldehyde
CID 72943025
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
1,4-diphenoxybenzene;ethane;tris(2-(2-methoxyphenyl)benzaldehyde)
CID 145045586
(3-phenoxy-2-pyridinyl)-phenylmethanone
CID 173425503
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
CID 164915849
2-(4-bromophenoxy)benzaldehyde
CID 28604058
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
2,4-diphenoxybenzaldehyde
CID 87301631
2-quinolin-5-yloxybenzaldehyde
CID 103045116
4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
CID 167102927

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxy-2-pyridinyl)benzaldehyde?
The IUPAC name of 2-(3-phenoxy-2-pyridinyl)benzaldehyde (CID 54465090) is 2-(3-phenoxy-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-(3-phenoxy-2-pyridinyl)benzaldehyde?
The canonical SMILES for 2-(3-phenoxy-2-pyridinyl)benzaldehyde is O=Cc1ccccc1-c1ncccc1Oc1ccccc1.
What is the InChIKey of 2-(3-phenoxy-2-pyridinyl)benzaldehyde?
The InChIKey is GGBHCQSGUJTPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-13-14-7-4-5-10-16(14)18-17(11-6-12-19-18)21-15-8-2-1-3-9-15/h1-13H.
What are the key properties of 2-(3-phenoxy-2-pyridinyl)benzaldehyde?
2-(3-phenoxy-2-pyridinyl)benzaldehyde has a molecular weight of 275.31 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxy-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 54465090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).